N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-propan-2-yloxy-5-propyl-phenoxy)ethanamine; ethanedioic acid

Systemtic Name: N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-propan-2-yloxy-5-propyl-phenoxy)ethanamine; ethanedioic acid Openeye Name: N-[[3-(cyclopentoxy)phenyl]methyl]-2-(2-isopropoxy-5-propyl-phenoxy)ethanamine; oxalic acid CAS Name: N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-propan-2-yloxy-5-propylphenoxy)ethanamine; oxalic acid IUPAC Name: N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-propan-2-yloxy-5-propylphenoxy)ethanamine; oxalic acid Traditional Name: [3-(cyclopentoxy)benzyl]-[2-(2-isopropoxy-5-propyl-phenoxy)ethyl]amine; oxalic acid Formula: C28H39NO7 MolecularWeight: 501.61176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OC(C)C)OCCNCC2=CC(=CC=C2)OC3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCC1=CC(=C(C=C1)OC(C)C)OCCNCC2=CC(=CC=C2)OC3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H37NO3.C2H2O4/c1-4-8-21-13-14-25(29-20(2)3)26(18-21)28-16-15-27-19-22-9-7-12-24(17-22)30-23-10-5-6-11-23;3-1(4)2(5)6/h7,9,12-14,17-18,20,23,27H,4-6,8,10-11,15-16,19H2,1-3H3;(H,3,4)(H,5,6)